6-chloro-5-(trifluoromethyl)-1H-pyrimidin-2-one

C5H2ClF3N2O — CID 130909431

IUPAC6-chloro-5-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESO=c1ncc(C(F)(F)F)c(Cl)[nH]1
InChIInChI=1S/C5H2ClF3N2O/c6-3-2(5(7,8)9)1-10-4(12)11-3/h1H,(H,10,11,12)
InChIKeyYBOCGSPNKCXBRS-UHFFFAOYSA-N
MW198.53 g/mol
LogP1.44
Rot. Bonds

About 6-chloro-5-(trifluoromethyl)-1H-pyrimidin-2-one

6-chloro-5-(trifluoromethyl)-1H-pyrimidin-2-one (PubChem CID 130909431) has the molecular formula C5H2ClF3N2O and a molecular weight of 198.53 g/mol. Its IUPAC name is 6-chloro-5-(trifluoromethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-chloro-5-(trifluoromethyl)-1H-pyrimidin-2-one
PubChem CID130909431
Molecular FormulaC5H2ClF3N2O
Molecular Weight198.53 g/mol
Exact Mass197.98
IUPAC Name6-chloro-5-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESO=c1ncc(C(F)(F)F)c(Cl)[nH]1
InChIInChI=1S/C5H2ClF3N2O/c6-3-2(5(7,8)9)1-10-4(12)11-3/h1H,(H,10,11,12)
InChIKeyYBOCGSPNKCXBRS-UHFFFAOYSA-N
XLogP1.44
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.53
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(trifluoromethyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-chloro-5-(trifluoromethyl)-1H-pyrimidin-2-one (CID 130909431) is 6-chloro-5-(trifluoromethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-chloro-5-(trifluoromethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-chloro-5-(trifluoromethyl)-1H-pyrimidin-2-one is O=c1ncc(C(F)(F)F)c(Cl)[nH]1.
What is the InChIKey of 6-chloro-5-(trifluoromethyl)-1H-pyrimidin-2-one?
The InChIKey is YBOCGSPNKCXBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClF3N2O/c6-3-2(5(7,8)9)1-10-4(12)11-3/h1H,(H,10,11,12).
What are the key properties of 6-chloro-5-(trifluoromethyl)-1H-pyrimidin-2-one?
6-chloro-5-(trifluoromethyl)-1H-pyrimidin-2-one has a molecular weight of 198.53 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(trifluoromethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 130909431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).